N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine

C10H12F3NO — CID 24699744

IUPACN-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-7(14-2)8-3-5-9(6-4-8)15-10(11,12)13/h3-7,14H,1-2H3
InChIKeyGNGYCUSIDVPBDW-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine

N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 24699744) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID24699744
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-7(14-2)8-3-5-9(6-4-8)15-10(11,12)13/h3-7,14H,1-2H3
InChIKeyGNGYCUSIDVPBDW-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 24699744) is N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine is CNC(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is GNGYCUSIDVPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-7(14-2)8-3-5-9(6-4-8)15-10(11,12)13/h3-7,14H,1-2H3.
What are the key properties of N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine?
N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 24699744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).